SCHEMBL3169586

SCHEMBL3169586

C=CCC1CN(C(=O)O)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.42
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17491758 0.83 FAAH (0.44) FAAH
SCHEMBL16825966 0.81 ELANE (0.43) FAAHALDH1A1
SCHEMBL2253385 0.79 DDB1 (0.41) FAAHMEN1ALDH1A1KMT2A
SCHEMBL2253382 0.79 DDB1 (0.41) FAAHMEN1ALDH1A1KMT2A
SCHEMBL16372447 0.77 ELANE (0.53) MEN1KMT2A
SCHEMBL20820425 0.75 FAAH (0.38) FAAHMEN1ALDH1A1KMT2A
SCHEMBL20399786 0.74 OPRK1 (0.34)
SCHEMBL20399751 0.74 OPRK1 (0.34)
SCHEMBL28196771 0.74 POLB (0.33)
SCHEMBL2824387 0.74 ERN1 (0.30) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569267-B2 Tetracyclic tetrahydrofuran derivatives containing cyclic amine side chain JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
EP-1896456-B1 NOVEL TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CONTAINING A CYCLIC AMINE SIDE CHAIN JANSSEN PHARMACEUTICA NV (BE) 2010-03-10 EP disclosed
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US disclosed
EP-1896456-A2 NOVEL TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CONTAINING A CYCLIC AMINE SIDE CHAIN JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-12 EP disclosed
WO-2006134163-A2 NOVEL TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CONTAINING A CYCLIC AMINE SIDE CHAIN JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain HTR2C, HTR2A, HTR5A FAAH 683/4885MEN1 4320/4885ALDH1A1 848/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.